4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine

C13H18N2 — CID 56831517

IUPAC4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
SMILESC=CCN(CC=C)c1ccc(C)cc1N
InChIInChI=1S/C13H18N2/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14/h4-7,10H,1-2,8-9,14H2,3H3
InChIKeyCCYCSGZBIIDUMM-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.76
Rot. Bonds5

About 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine

4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine (PubChem CID 56831517) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
PubChem CID56831517
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
SMILESC=CCN(CC=C)c1ccc(C)cc1N
InChIInChI=1S/C13H18N2/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14/h4-7,10H,1-2,8-9,14H2,3H3
InChIKeyCCYCSGZBIIDUMM-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-p-toluidine
CID 7471
3,4-Diaminotoluene
CID 10332
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
Epicept NP-1
CID 5276854
LY-165163
CID 121930
Phenbenzamine
CID 13751

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine (CID 56831517) is 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine is C=CCN(CC=C)c1ccc(C)cc1N.
What is the InChIKey of 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine?
The InChIKey is CCYCSGZBIIDUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14/h4-7,10H,1-2,8-9,14H2,3H3.
What are the key properties of 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine?
4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine is sourced from PubChem (CID 56831517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).